The cancer burden statistics have been on the rise between the years 2008 and 2018. There has been an increase in the incidence and mortalities of cancers within this period. These statistics justify the sustained increase in the study and exploration of more agents with significant anticancer activity. Compounds of natural origin, such as caffeine, a widely known member of the xanthine family of purines fall under this category. It is a popular component of beverages and medications used in contemporary times. This review aims to elucidate on the anticancer activities attributed to caffeine. Caffeine consumption has been shown to have anticancer benefits from epidemiological evidences. It prevents the initiation of carcinogenesis and has antitumor activity. Caffeine also has significant anticancer activity against animal and cultured cell line models of cancer. The cytotoxic effects of some anticancer drugs have also been improved by combination with caffeine. Furthermore, caffeine and related xanthine derivatives have also been applied in experimental chemotherapy. Some molecular pathways have been implicated in these activities related to apoptosis and DNA damage repair pathways. These studies outline the beneficial anticancer effects of caffeine against the different stages of cancer development.