The relationship between metabolite changes and biological endpoints in response to cadmium (Cd) stress remains unclear. Fountain grass has good Cd enrichment and tolerance abilities and is widely used in agriculture and landscaping. We analyzed the metabolic responses by detecting the metabolites through UPLC-MS and examined the relationships between metabolite changes and the characteristics of morphology and physiology to different Cd stress in fountain grass. Our results showed that under Cd stress, 102 differential metabolites in roots and 48 differential metabolites in leaves were detected, with 20 shared metabolites. Under Cd stress, most of the carbohydrates in leaves and roots decreased, which contributed to the lowered leaf/root length and fresh weight. In comparison, most of the differential amino acids and lipids decreased in the leaves but increased in the roots. Almost all the differential amino acids in the roots were negatively correlated with root length and root fresh weight, while they were positively correlated with malondialdehyde content. However, most of the differential amino acids in the leaves were positively correlated with leaf length and leaf fresh weight but negatively correlated with malondialdehyde content. Metabolic pathway analysis showed that Cd significantly affects seven and eight metabolic pathways in the leaves and roots, respectively, with only purine metabolism co-existing in the roots and leaves. Our study is the first statement on metabolic responses to Cd stress and the relationships between differential metabolites and biological endpoints in fountain grass. The coordination between various metabolic pathways in fountain grass enables plants to adapt to Cd stress. This study provides a comprehensive framework by explaining the metabolic plasticity and Cd tolerance mechanisms of plants.