In recent research, the composite of Fe3O4 and metal-organic frameworks have shown great potential in removing potentially toxic metals from water. We conducted the adsorption studies of potentially toxic metal ions (Cu2+, Co2+ and Cd2+) using the composite of Fe3O4 and zeolitic imidazole framework-8 (Fe3O4@ZIF-8) for the first time. The solvothermal technique was used to synthesize the Fe3O4. The magnetic ZIF-8 offers high thermal stability, greater adsorption surface, good removability, and high chemical and thermal stability. Characterization techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and Fourier-transform infrared spectroscopy (FTIR) were used to characterize the synthesized samples. The SEM and XRD results revealed the high purity and structural integrity of ZIF-8 crystallites. To remove potentially toxic metals (Cu2+, Co2+ and Cd2+), the influence of adsorbent dosage, contact time, pH, and adsorbate concentration on the adsorption performance of Fe3O4@ZIF-8 was investigated. Langmuir isotherm accurately represented the adsorption processes, with absorption magnitudes of Fe3O4@ZIF-8 determined to be 46.82 mg g−1, 71.29 mg g−1 and 54.49 mg g−1 for Cu2+, Co2+ and Cd2+, respectively. According to the adsorption mechanism analysis, the primary Cu2+, Co2+ and Cd2+ removal methods of Fe3O4@ZIF-8 were ion exchange and coordination bonds. The uptake capacity of Cu2+, Co2+ and Cd2+ solution by Fe3O4@ZIF-8 were not significantly affected by the presence of counter ions. The material exhibited superior regenerative properties for Cu2+, Co2+ and Cd2+ ions from the water up to three cycles. This study concluded that the Fe3O4@ZIF-8 could be a viable candidate for eliminating potentially toxic metals (Cu2+, Co2+ and Cd2+).